In [1]:
import pickle
import torch
In [2]:
FILE_NEW="/media/eduseiti/bigdata02/unicamp/doutorado/bootstrap.pytorch/data/mixedSpectraCrux/sequences/test_mixedSpectraCrux_v5.1.pkl"
FILE_OLD="/media/eduseiti/data_storage_1TB/unicamp/clustering_linfeng_sample_pvalues/datasets/test_mixedSpectraCrux_v5.1.pkl"
In [5]:
with open(FILE_NEW, "rb") as inputLog:
    testNew = pickle.load(inputLog)
In [6]:
with open(FILE_OLD, "rb") as inputLog:
    testBasic = pickle.load(inputLog)
In [7]:
testNew['normalizationParameters']
Out[7]:
{'mz_mean': tensor(539.7372),
 'mz_std': 372.5983511101465,
 'intensity_mean': tensor(7080.2295),
 'intensity_std': 168146.81889348963,
 'pepmass_mean': 4.244749552710952,
 'pepmass_std': 59.29983008885746}
In [8]:
testBasic['normalizationParameters']
Out[8]:
{'mz_mean': tensor(539.7372),
 'mz_std': 372.5983511101465,
 'intensity_mean': tensor(7080.2295),
 'intensity_std': 168146.81889348963}
In [10]:
testNew.keys()
Out[10]:
dict_keys(['spectra', 'multipleScansSequences', 'singleScanSequences', 'normalizationParameters', 'spectraCount'])
In [11]:
testNew['spectra']['TQPYDVYDQVEFDVPVGSR']
Out[11]:
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          [ 3.8814e+00, -3.4144e-02]]),
  'pepmass': [18.605189014354327],
  'charge': '2+',
  'scan': 5676},
 {'nzero_peaks': tensor([[-1.1680e+00, -4.0520e-02],
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          [ 1.8756e+00, -4.0309e-02],
          [ 1.8782e+00, -4.1320e-02],
          [ 1.9238e+00, -4.0736e-02],
          [ 1.9265e+00, -4.0924e-02],
          [ 1.9347e+00, -4.1032e-02],
          [ 2.0743e+00, -4.1150e-02],
          [ 2.0770e+00, -4.0783e-02],
          [ 2.1065e+00, -4.1087e-02],
          [ 2.1092e+00, -3.9642e-02],
          [ 2.1200e+00, -3.9617e-02],
          [ 2.1227e+00, -3.7190e-02],
          [ 2.1253e+00, -3.8964e-02],
          [ 2.1683e+00,  2.6966e-02],
          [ 2.1710e+00,  1.2964e-02],
          [ 2.1737e+00, -2.9985e-02],
          [ 2.1896e+00, -4.1121e-02],
          [ 2.1978e+00, -4.1252e-02],
          [ 2.2325e+00, -3.7528e-02],
          [ 2.2352e+00, -3.7093e-02],
          [ 2.2379e+00, -4.1254e-02],
          [ 2.2382e+00, -4.1125e-02],
          [ 2.2406e+00, -4.1572e-02],
          [ 2.3000e+00, -4.1475e-02],
          [ 2.3109e+00, -4.1285e-02],
          [ 2.4100e+00, -4.1420e-02],
          [ 2.4127e+00, -3.9494e-02],
          [ 2.4241e+00, -4.1571e-02],
          [ 2.4984e+00, -4.1016e-02],
          [ 2.5576e+00, -3.9448e-02],
          [ 2.5603e+00, -3.8464e-02],
          [ 2.5630e+00, -3.9173e-02],
          [ 2.6060e+00,  4.0004e-02],
          [ 2.6087e+00,  3.4796e-02],
          [ 2.6114e+00, -2.3269e-02],
          [ 2.6141e+00, -4.0844e-02],
          [ 2.6355e+00, -4.0256e-02],
          [ 2.6382e+00, -4.1304e-02],
          [ 2.6785e+00, -4.1032e-02],
          [ 2.8235e+00, -4.1179e-02],
          [ 2.8262e+00, -4.1217e-02],
          [ 2.8474e+00, -4.0956e-02],
          [ 2.8719e+00, -2.1091e-02],
          [ 2.8745e+00, -1.7726e-02],
          [ 2.8772e+00, -3.6579e-02],
          [ 2.8802e+00, -4.1019e-02],
          [ 3.1133e+00, -4.0434e-02],
          [ 3.1323e+00, -4.1284e-02],
          [ 3.1349e+00, -4.0302e-02],
          [ 3.1376e+00, -4.0530e-02],
          [ 3.1806e+00, -2.1051e-02],
          [ 3.1833e+00, -1.8142e-02],
          [ 3.1859e+00, -3.4930e-02],
          [ 3.5369e+00, -4.1548e-02],
          [ 3.6182e+00, -3.7218e-02],
          [ 3.6209e+00, -3.5574e-02],
          [ 3.6236e+00, -3.8887e-02],
          [ 3.6477e+00, -4.1313e-02],
          [ 3.6551e+00, -4.1335e-02],
          [ 3.8330e+00, -4.0447e-02],
          [ 3.8787e+00, -2.3197e-02],
          [ 3.8814e+00, -1.2123e-02],
          [ 3.8841e+00, -3.1354e-02],
          [ 3.8868e+00, -4.0709e-02]]),
  'pepmass': [18.605075795358978],
  'charge': '2+',
  'scan': 4003}]
In [12]:
testBasic['spectra']['TQPYDVYDQVEFDVPVGSR'][0].keys()
Out[12]:
dict_keys(['nzero_peaks', 'pepmass', 'charge', 'scan'])
In [13]:
pepmasses = []


for key, same_sequence in testBasic['spectra'].items():
    for spectrum in same_sequence:
        for pepmass in spectrum['pepmass']:
            pepmasses.append({"sequence":key, "pepmass":pepmass})
In [14]:
len(pepmasses)
Out[14]:
49314
In [15]:
pepmasses
Out[15]:
[{'sequence': 'HGGYKPTDK', 'pepmass': 501.755615234375},
 {'sequence': 'ICELYAK', 'pepmass': 448.731018066406},
 {'sequence': 'HGEVCPAGWKPGSDTIKPDVQK', 'pepmass': 602.303100585938},
 {'sequence': 'HGEVCPAGWKPGSDTIKPDVQK', 'pepmass': 541.911682128906},
 {'sequence': 'HGEVCPAGWKPGSDTIKPDVQK', 'pepmass': 802.734313964844},
 {'sequence': 'HGEVCPAGWKPGSDTIKPDVQK', 'pepmass': 602.29931640625},
 {'sequence': 'EEIVPDSQEATAHVSQDQK', 'pepmass': 704.336303710938},
 {'sequence': 'VQLLHSQNTSLINQK', 'pepmass': 861.981384277344},
 {'sequence': 'VQLLHSQNTSLINQK', 'pepmass': 861.977355957031},
 {'sequence': 'VQLLHSQNTSLINQK', 'pepmass': 620.8310546875},
 {'sequence': 'VQLLHSQNTSLINQK', 'pepmass': 861.978820800781},
 {'sequence': 'VQLLHSQNTSLINQK', 'pepmass': 574.987976074219},
 {'sequence': 'TWSTVTPEVK', 'pepmass': 1147.60205078125},
 {'sequence': 'VLDTPGPPQDLK', 'pepmass': 1279.691772460938},
 {'sequence': 'VLDTPGPPQDLK', 'pepmass': 640.353942871094},
 {'sequence': 'IVSSSDVGHDEYSTQSLVK', 'pepmass': 1026.001708984375},
 {'sequence': 'IVSSSDVGHDEYSTQSLVK', 'pepmass': 1026.502807617188},
 {'sequence': 'IVSSSDVGHDEYSTQSLVK', 'pepmass': 684.335388183594},
 {'sequence': 'IVSSSDVGHDEYSTQSLVK', 'pepmass': 576.776062011719},
 {'sequence': 'IVSSSDVGHDEYSTQSLVK', 'pepmass': 1042.714477539063},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.340942382813},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.34228515625},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.33935546875},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.33935546875},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.338745117188},
 {'sequence': 'ELAEDGYSGVEVR', 'pepmass': 712.837219238281},
 {'sequence': 'GYSFVTTAER', 'pepmass': 1130.551147460938},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779968261719},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779602050781},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779663085938},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.780212402344},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.780029296875},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779846191406},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779663085938},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.779724121094},
 {'sequence': 'GYSFVTTAER', 'pepmass': 1130.545776367188},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.776184082031},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.77587890625},
 {'sequence': 'GYSFVTTAER', 'pepmass': 1130.547973632813},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.776062011719},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.7763671875},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.776733398438},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777648925781},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777587890625},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.77783203125},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777770996094},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.778503417969},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.778015136719},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777282714844},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777282714844},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777465820313},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777160644531},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777282714844},
 {'sequence': 'GYSFVTTAER', 'pepmass': 565.777221679688},
 {'sequence': 'GYSFVTTAER', 'pepmass': 1130.547729492188},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.853393554688},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 1478.697021484375},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.853698730469},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.85400390625},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.854309082031},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.570861816406},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.56982421875},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.570098876953},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 492.898193359375},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.85107421875},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.569488525391},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.569305419922},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.8505859375},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851440429688},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 493.5693359375},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850402832031},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850769042969},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850463867188},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.852661132813},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851257324219},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851379394531},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.85107421875},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850524902344},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850463867188},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.852294921875},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851684570313},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851501464844},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851379394531},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850708007813},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.851684570313},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.850952148438},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.85107421875},
 {'sequence': 'GTFATLSELHCDK', 'pepmass': 739.849487304688},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.947998046875},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.631042480469},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.944519042969},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.631530761719},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 660.58349609375},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.632202148438},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.63232421875},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.632629394531},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.945434570313},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.63232421875},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.944519042969},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.632385253906},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 573.632568359375},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.943481445313},
 {'sequence': 'NLDIERPTYTNLNR', 'pepmass': 859.949768066406},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.955871582031},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.951965332031},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.952880859375},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.952453613281},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.953247070313},
 {'sequence': 'LIAPVAEEEATVPNNK', 'pepmass': 847.955200195313},
 {'sequence': 'SENGLEFTSSGSANTETTK', 'pepmass': 980.936157226563},
 {'sequence': 'SENGLEFTSSGSANTETTK', 'pepmass': 979.472229003906},
 {'sequence': 'CSNSAGVGEPSEATEVTVVGDK', 'pepmass': 1097.497314453125},
 {'sequence': 'VLYVGGLAEEVDDK', 'pepmass': 503.606048583984},
 {'sequence': 'VEFECEVSEEGAQVK', 'pepmass': 1739.787109375},
 {'sequence': 'VEFECEVSEEGAQVK', 'pepmass': 870.393249511719},
 {'sequence': 'VEFECEVSEEGAQVK', 'pepmass': 871.379455566406},
 {'sequence': 'VEFECEVSEEGAQVK', 'pepmass': 870.395202636719},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.934997558594},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 593.962707519531},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.441955566406},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.439697265625},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.440856933594},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 593.961975097656},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.440063476563},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.441711425781},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 593.962951660156},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 593.962036132813},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 890.441711425781},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 593.962646484375},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 485.908477783203},
 {'sequence': 'ITQGQFDEHYVLSSR', 'pepmass': 454.266235351563},
 {'sequence': 'DIDECDIVPDACK', 'pepmass': 775.33251953125},
 {'sequence': 'ADAASSLTVDVTPPTAK', 'pepmass': 822.43212890625},
 {'sequence': 'ENVLIGDGAGFK', 'pepmass': 610.321838378906},
 {'sequence': 'ENVLIGDGAGFK', 'pepmass': 610.319213867188},
 {'sequence': 'ENVLIGDGAGFK', 'pepmass': 610.319274902344},
 {'sequence': 'LIAEEGVDSLNVK', 'pepmass': 1386.752197265625},
 {'sequence': 'EELYCPPITVK', 'pepmass': 674.848754882813},
 {'sequence': 'EELYCPPITVK', 'pepmass': 673.375610351563},
 {'sequence': 'EELYCPPITVK', 'pepmass': 674.8447265625},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.3994140625},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.399841308594},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.400512695313},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.403015136719},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.403076171875},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.393737792969},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.396057128906},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.397155761719},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.396850585938},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.397033691406},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 506.922119140625},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 495.286560058594},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 477.307312011719},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.396301269531},
 {'sequence': 'ILGADTSVDLEETGR', 'pepmass': 788.399230957031},
 {'sequence': 'LPLQLDDAVRPEAEGEEEGR', 'pepmass': 741.702453613281},
 {'sequence': 'LPLQLDDAVRPEAEGEEEGR', 'pepmass': 403.249877929688},
 {'sequence': 'LPLQLDDAVRPEAEGEEEGR', 'pepmass': 1112.047973632813},
 {'sequence': 'NALVSHLDGTTPVCEDIGR', 'pepmass': 685.668029785156},
 {'sequence': 'NALVSHLDGTTPVCEDIGR', 'pepmass': 1027.505493164063},
 {'sequence': 'NALVSHLDGTTPVCEDIGR', 'pepmass': 1028.95849609375},
 {'sequence': 'LEQQVDDLEGSLEQEK', 'pepmass': 620.636291503906},
 {'sequence': 'LEQQVDDLEGSLEQEK', 'pepmass': 929.955261230469},
 {'sequence': 'LEQQVDDLEGSLEQEK', 'pepmass': 930.454223632813},
 {'sequence': 'LEQQVDDLEGSLEQEK', 'pepmass': 930.451416015625},
 {'sequence': 'LEQQVDDLEGSLEQEK', 'pepmass': 930.447814941406},
 {'sequence': 'THILLFLPK', 'pepmass': 361.231292724609},
 {'sequence': 'THILLFLPK', 'pepmass': 541.3447265625},
 {'sequence': 'THILLFLPK', 'pepmass': 541.342468261719},
 {'sequence': 'THILLFLPK', 'pepmass': 541.341064453125},
 {'sequence': 'THILLFLPK', 'pepmass': 541.340637207031},
 {'sequence': 'THILLFLPK', 'pepmass': 541.342956542969},
 {'sequence': 'THILLFLPK', 'pepmass': 541.342834472656},
 {'sequence': 'THILLFLPK', 'pepmass': 541.343017578125},
 {'sequence': 'THILLFLPK', 'pepmass': 361.230895996094},
 {'sequence': 'NIGNLFEEAEK', 'pepmass': 632.316528320313},
 {'sequence': 'NIGNLFEEAEK', 'pepmass': 632.313537597656},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 759.408630371094},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.919921875},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.91796875},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.913696289063},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.913024902344},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 864.461608886719},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.91650390625},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.916564941406},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.915771484375},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.915771484375},
 {'sequence': 'GVETIANDVVSLATK', 'pepmass': 758.916687011719},
 {'sequence': 'EEEEVGFDWSDR', 'pepmass': 749.3115234375},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.315063476563},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 947.968627929688},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 948.462158203125},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.31591796875},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 948.463012695313},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.644775390625},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.317260742188},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.316040039063},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 948.464965820313},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.643249511719},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.318298339844},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.312927246094},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.3125},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 947.966491699219},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 947.966064453125},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.312744140625},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.641174316406},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.3134765625},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.313598632813},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.313598632813},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.641784667969},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 1037.24658203125},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 630.974853515625},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 1034.137817382813},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.641967773438},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.640747070313},
 {'sequence': 'HADSVAELGEQIDNLQR', 'pepmass': 632.313781738281},
 {'sequence': 'AMNQYGLSDPSEPSEPIALR', 'pepmass': 1088.026733398438},
 {'sequence': 'SICEVLDLER', 'pepmass': 617.313415527344},
 {'sequence': 'SICEVLDLER', 'pepmass': 617.31103515625},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 1620.82177734375},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 811.407165527344},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 1620.823486328125},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 1202.039672851563},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 990.247314453125},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 823.018859863281},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 810.912414550781},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 810.911010742188},
 {'sequence': 'VGEATETALTCLVEK', 'pepmass': 810.912048339844},
 {'sequence': 'ASSSILIDESEPTTNIQIR', 'pepmass': 692.030456542969},
 {'sequence': 'ASSSILIDESEPTTNIQIR', 'pepmass': 1037.044189453125},
 {'sequence': 'VSGLDEGLMYEYR', 'pepmass': 766.362121582031},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1300.603271484375},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.407653808594},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 868.057861328125},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.407287597656},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.406372070313},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.405456542969},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.409606933594},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.406982421875},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.406921386719},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.407470703125},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.400268554688},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.401000976563},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 811.879150390625},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1075.864624023438},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1271.317504882813},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1031.916381835938},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1396.677978515625},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 774.388549804688},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1178.911499023438},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1180.540283203125},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1157.949951171875},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1542.828491210938},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 938.451293945313},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 813.079467773438},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 1135.546997070313},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.430236816406},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.404113769531},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.402099609375},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.398803710938},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.399047851563},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.400512695313},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.399291992188},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.401306152344},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.4013671875},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.403747558594},
 {'sequence': 'TDEFQLHTNVNDGTEFGGSIYQK', 'pepmass': 867.403259277344},
 {'sequence': 'DFFTSGSPEETAFR', 'pepmass': 795.858276367188},
 {'sequence': 'TLPETLDPAEYNISPETR', 'pepmass': 682.675720214844},
 {'sequence': 'TLPETLDPAEYNISPETR', 'pepmass': 1023.508483886719},
 {'sequence': 'TLPETLDPAEYNISPETR', 'pepmass': 682.672485351563},
 {'sequence': 'TLPETLDPAEYNISPETR', 'pepmass': 682.67236328125},
 {'sequence': 'TLPETLDPAEYNISPETR', 'pepmass': 1023.5078125},
 {'sequence': 'LQLDSPEDAEFIVAK', 'pepmass': 837.937683105469},
 {'sequence': 'LQLDSPEDAEFIVAK', 'pepmass': 837.933227539063},
 {'sequence': 'LQLDSPEDAEFIVAK', 'pepmass': 837.93310546875},
 {'sequence': 'LQLDSPEDAEFIVAK', 'pepmass': 837.935119628906},
 {'sequence': 'LQLDSPEDAEFIVAK', 'pepmass': 837.934753417969},
 {'sequence': 'EALLEETNSFLK', 'pepmass': 697.3671875},
 {'sequence': 'VGDAIPAVEVFEGEPGNK', 'pepmass': 609.978637695313},
 {'sequence': 'VGDAIPAVEVFEGEPGNK', 'pepmass': 609.974792480469},
 {'sequence': 'VGDAIPAVEVFEGEPGNK', 'pepmass': 914.927734375},
 {'sequence': 'ELDQWVEQLNECK', 'pepmass': 845.895263671875},
 {'sequence': 'ELDQWVEQLNECK', 'pepmass': 845.890747070313},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973266601563},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.972961425781},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973083496094},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973571777344},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973327636719},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.984008789063},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973937988281},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.97314453125},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973754882813},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.973449707031},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967346191406},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967224121094},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967041015625},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967224121094},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967956542969},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.970581054688},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968811035156},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.966979980469},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.96630859375},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968200683594},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967468261719},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.96826171875},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.980346679688},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967712402344},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968139648438},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968566894531},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968383789063},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967956542969},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967224121094},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967956542969},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967956542969},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967102050781},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968139648438},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 871.463012695313},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 792.342651367188},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 725.397094726563},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 657.874267578125},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 544.329345703125},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 533.49072265625},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 1037.976684570313},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 759.7255859375},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 1034.169189453125},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 1034.531494140625},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 1299.68017578125},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 908.935546875},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 574.32177734375},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 817.231262207031},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 588.952331542969},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 871.460510253906},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968994140625},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968383789063},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.968994140625},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.980102539063},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.981140136719},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.463439941406},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.981323242188},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.966552734375},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.96875},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 871.470153808594},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 580.980773925781},
 {'sequence': 'ILNPAAIPEGQFIDSR', 'pepmass': 870.967712402344},
 {'sequence': 'DGIEINFQVQER', 'pepmass': 724.364074707031},
 {'sequence': 'ITVVDDADTVELCGALK', 'pepmass': 909.966857910156},
 {'sequence': 'ITVVDDADTVELCGALK', 'pepmass': 910.462890625},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.98388671875},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.976684570313},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.977783203125},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.980590820313},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.977783203125},
 {'sequence': 'AGAYDFPSPEWDTVTPEAK', 'pepmass': 1040.979125976563},
 {'sequence': 'NQITLTLVDDDFDK', 'pepmass': 818.912780761719},
 {'sequence': 'EEWPALGDSEILK', 'pepmass': 743.880310058594},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.348754882813},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.349304199219},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.347839355469},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.348266601563},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 1501.688720703125},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 501.233123779297},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.35009765625},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.35009765625},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.347961425781},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.343139648438},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.343505859375},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.343200683594},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.343933105469},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.344055175781},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 657.874572753906},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.344665527344},
 {'sequence': 'DTGTYEDFVEGLR', 'pepmass': 751.343627929688},
 {'sequence': 'VQSGSESVIQEYVDLR', 'pepmass': 904.960571289063},
 {'sequence': 'VQSGSESVIQEYVDLR', 'pepmass': 904.956176757813},
 {'sequence': 'VQSGSESVIQEYVDLR', 'pepmass': 541.330139160156},
 {'sequence': 'VQSGSESVIQEYVDLR', 'pepmass': 904.957214355469},
 {'sequence': 'VQSGSESVIQEYVDLR', 'pepmass': 904.957397460938},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1021.004211425781},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1021.493408203125},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1021.489074707031},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1021.4892578125},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1021.498107910156},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.994995117188},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.998107910156},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 681.000427246094},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.996398925781},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.996154785156},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.499206542969},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 1020.997863769531},
 {'sequence': 'GIVDQSQQAYQEAFEISK', 'pepmass': 681.002136230469},
 {'sequence': 'DPVQEAWAEDVDLR', 'pepmass': 822.385681152344},
 {'sequence': 'DPVQEAWAEDVDLR', 'pepmass': 821.889465332031},
 {'sequence': 'DPVQEAWAEDVDLR', 'pepmass': 821.889587402344},
 {'sequence': 'DPVQEAWAEDVDLR', 'pepmass': 821.888916015625},
 {'sequence': 'DPVQEAWAEDVDLR', 'pepmass': 821.890258789063},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 1107.529296875},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 1107.526123046875},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 738.683227539063},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 685.846252441406},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 1107.521362304688},
 {'sequence': 'TQPYDVYDQVEFDVPVGSR', 'pepmass': 1107.522583007813},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 640.804443359375},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.3193359375},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.319458007813},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.318359375},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.319458007813},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.3193359375},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.318176269531},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.319091796875},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.3154296875},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.316589355469},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 974.488708496094},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.316284179688},
 {'sequence': 'ITYGQCGDVLR', 'pepmass': 641.316528320313},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.816528320313},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.943878173828},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.910827636719},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.81640625},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.912231445313},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.813110351563},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913391113281},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.944854736328},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913391113281},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913940429688},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913024902344},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.911376953125},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.912292480469},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.911437988281},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.814453125},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.91064453125},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.943359375},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.814331054688},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.91259765625},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.912719726563},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.945190429688},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913940429688},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.9130859375},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.8759765625},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.911376953125},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.914001464844},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.914184570313},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.914123535156},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.914428710938},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.9140625},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 676.333190917969},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913452148438},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.913024902344},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.81884765625},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.912536621094},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 1350.80908203125},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.908020019531},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.907592773438},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.9091796875},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.908996582031},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.909057617188},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 675.909301757813},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.941772460938},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.941772460938},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.941436767578},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 450.941467285156},
 {'sequence': 'HGATVLTALGGILK', 'pepmass': 677.391174316406},
 {'sequence': 'VAAHEAEEESDNIAEDFLEGK', 'pepmass': 1152.0263671875},
 {'sequence': 'EAPETDTSPSLWDVEFAK', 'pepmass': 1011.475402832031},
 {'sequence': 'EAPETDTSPSLWDVEFAK', 'pepmass': 1011.469482421875},
 {'sequence': 'MQQNIQELEEQLEEEESAR', 'pepmass': 1167.03564453125},
 {'sequence': 'MQQNIQELEEQLEEEESAR', 'pepmass': 777.685119628906},
 {'sequence': 'MQQNIQELEEQLEEEESAR', 'pepmass': 1167.032470703125},
 {'sequence': 'MQQNIQELEEQLEEEESAR', 'pepmass': 778.357482910156},
 {'sequence': 'VGMPLELGHEK', 'pepmass': 605.330322265625},
 {'sequence': 'ESVNAAFEMTLTEGSK', 'pepmass': 857.407836914063},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 1224.101440429688},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.406188964844},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 1224.104248046875},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 1224.102905273438},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.406982421875},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.397155761719},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 1275.11328125},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 1415.020874023438},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 693.038146972656},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.401550292969},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.40087890625},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.400634765625},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.401550292969},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.398742675781},
 {'sequence': 'EAFQPQEPDFPPPPPDLEQLR', 'pepmass': 816.401672363281},
 {'sequence': 'ELEAFIADLDK', 'pepmass': 632.330871582031},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.951904296875},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.951782226563},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.950073242188},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.9482421875},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.947875976563},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.949157714844},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948425292969},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 534.967041015625},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.908630371094},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.433044433594},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948669433594},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.947509765625},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948791503906},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948303222656},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948608398438},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 534.967895507813},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948974609375},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 800.941772460938},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.946899414063},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.947448730469},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.94775390625},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.947875976563},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.948669433594},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 534.968139648438},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 1602.8916015625},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.949279785156},
 {'sequence': 'VVLAYEPVWAIGTGK', 'pepmass': 801.950317382813},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.406982421875},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.407043457031},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.901184082031},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.407592773438},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.407836914063},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.407897949219},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.407592773438},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 1507.794799804688},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403259277344},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.406921386719},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.405456542969},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404541015625},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.402770996094},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403930664063},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403259277344},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403198242188},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404113769531},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.4033203125},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403015136719},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403625488281},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403503417969},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404846191406},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404602050781},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.4033203125},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.40283203125},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.402770996094},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.405151367188},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404113769531},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.404052734375},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.920288085938},
 {'sequence': 'LSVEALNSLTGEFK', 'pepmass': 754.403198242188},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 936.459045410156},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.345703125},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.346374511719},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.346801757813},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.347106933594},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.345520019531},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 936.130981445313},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 936.127136230469},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 936.126831054688},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.347412109375},
 {'sequence': 'VDTVNHLADELINSGHSDAATIAEWK', 'pepmass': 702.34716796875},
 {'sequence': 'SSLSSAQADFNQLAELDR', 'pepmass': 976.968505859375},
 {'sequence': 'SSLSSAQADFNQLAELDR', 'pepmass': 976.477783203125},
 {'sequence': 'SSLSSAQADFNQLAELDR', 'pepmass': 976.4736328125},
 {'sequence': 'SSLSSAQADFNQLAELDR', 'pepmass': 976.473388671875},
 {'sequence': 'SSLSSAQADFNQLAELDR', 'pepmass': 976.470642089844},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.48828125},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.488159179688},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.979370117188},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.979858398438},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.490966796875},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.483032226563},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1414.235107421875},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1009.227600097656},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.485107421875},
 {'sequence': 'STNGDTFLGGEDFDQALLR', 'pepmass': 1028.484130859375},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.924499511719},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.926574707031},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 811.417724609375},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.950012207031},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.950256347656},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.952392578125},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 541.609069824219},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.405822753906},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.405944824219},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.95263671875},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.953491210938},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.947326660156},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.922546386719},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.922485351563},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.951171875},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.950622558594},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.921081542969},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.9501953125},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 540.950805664063},
 {'sequence': 'LHFFMPGFAPLTSR', 'pepmass': 810.921569824219},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.400512695313},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.403564453125},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.402709960938},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 1439.794555664063},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.395874023438},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.398315429688},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.397338867188},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.398864746094},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.39892578125},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 672.682067871094},
 {'sequence': 'VALTGLTVAEYFR', 'pepmass': 720.39892578125},
 {'sequence': 'VLEELLTEGFK', 'pepmass': 639.319885253906},
 {'sequence': 'DHVEVCPDAGVIIEELSQR', 'pepmass': 1083.530639648438},
 {'sequence': 'HGETSASASLLEEADYELLMK', 'pepmass': 1147.548706054688},
 {'sequence': 'HGETSASASLLEEADYELLMK', 'pepmass': 765.367065429688},
 {'sequence': 'SVDILELTEQEELLK', 'pepmass': 586.986572265625},
 {'sequence': 'SVDILELTEQEELLK', 'pepmass': 879.972900390625},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.942626953125},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 581.62890625},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.940063476563},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.939697265625},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.941528320313},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.940002441406},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 581.627258300781},
 {'sequence': 'DDPIGNINLAMEIAEK', 'pepmass': 871.941528320313},
 {'sequence': 'LQQELEFLEVQEEYIK', 'pepmass': 680.02099609375},
 {'sequence': 'LQQELEFLEVQEEYIK', 'pepmass': 1019.521789550781},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.855041503906},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.36328125},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.362731933594},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.363220214844},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.359008789063},
 {'sequence': 'EQWDTIEELIR', 'pepmass': 716.360290527344},
 {'sequence': 'IHSEVVEDTEAVSAVQQLLDDER', 'pepmass': 861.42822265625},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.518249511719},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.51220703125},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 611.343017578125},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 611.344543457031},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.511535644531},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.511657714844},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 780.466918945313},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.513793945313},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 611.343566894531},
 {'sequence': 'TLAQLNPESSLFIIASK', 'pepmass': 916.513977050781},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.923461914063},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.925048828125},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.924377441406},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 549.617492675781},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.921325683594},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 549.943969726563},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.923583984375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.922729492188},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.923583984375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.923645019531},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.92333984375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.9248046875},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.918579101563},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.918212890625},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.917846679688},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.919738769531},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 549.615295410156},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.9189453125},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.919860839844},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.91943359375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.919250488281},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 586.322814941406},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1286.21826171875},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1314.16650390625},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 692.3359375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1275.629760742188},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1320.368408203125},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 773.424438476563},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1457.7763671875},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1195.231201171875},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1060.031860351563},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1283.983642578125},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1087.0537109375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1309.365600585938},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 953.160583496094},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1054.171997070313},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 686.734985351563},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 1052.061401367188},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 549.61572265625},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.919677734375},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.921752929688},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.919799804688},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.920043945313},
 {'sequence': 'NLTEEMAGLDEIIAK', 'pepmass': 823.918395996094},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 879.919372558594},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 879.922241210938},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 879.920166015625},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 999.830139160156},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 1041.026733398438},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 1175.278686523438},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 1260.916381835938},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 975.845092773438},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 1201.572021484375},
 {'sequence': 'AISEELDHALNDMTSI', 'pepmass': 879.914978027344},
 {'sequence': 'CELCDVELADLGFVK', 'pepmass': 884.915222167969},
 {'sequence': 'NEWDPIIEWAEK', 'pepmass': 765.370483398438},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.006103515625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.005432128906},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.005310058594},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001403808594},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.000732421875},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.000244140625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001770019531},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003234863281},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.659118652344},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.672485351563},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.330444335938},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004852294922},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004272460938},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.005157470703},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.331176757813},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003051757813},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.656921386719},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001525878906},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.00537109375},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.003295898438},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 888.999694824219},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.005065917969},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.002746582031},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003173828125},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.00244140625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.000305175781},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.002685546875},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001892089844},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.003753662109},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003601074219},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004302978516},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004028320313},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003295898438},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003479003906},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.0029296875},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.00439453125},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.658630371094},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.006011962891},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.007446289063},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.004821777344},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.660339355469},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 888.482055664063},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004333496094},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.005493164063},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 924.978210449219},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003662109375},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.293395996094},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004852294922},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.2509765625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003234863281},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004272460938},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004211425781},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004028320313},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.003723144531},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.659851074219},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004821777344},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.005065917969},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.004150390625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003662109375},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003540039063},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.003570556641},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003723144531},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.005187988281},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003356933594},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.002624511719},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.002563476563},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.00244140625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001831054688},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.002197265625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001831054688},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001647949219},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.002136230469},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 888.986694335938},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.989807128906},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.001098632813},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.0009765625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003295898438},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004089355469},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.659484863281},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.00634765625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.004638671875},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.001831054688},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.005126953125},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 888.997436523438},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004150390625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 445.004058837891},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 889.002563476563},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003784179688},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 592.66015625},
 {'sequence': 'LLGNVLVCVLAHHFGK', 'pepmass': 593.003234863281},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991821289063},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.975952148438},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.992492675781},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 650.321166992188},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991638183594},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.990112304688},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.483032226563},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.9912109375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.483642578125},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991271972656},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991455078125},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.992065429688},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.484924316406},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991516113281},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.48291015625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991394042969},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.482482910156},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.482788085938},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991088867188},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.97412109375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991760253906},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.991943359375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.482238769531},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.485473632813},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.992553710938},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.481872558594},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 650.320007324219},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.484375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.48388671875},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.478210449219},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.98681640625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.477722167969},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.4775390625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.987670898438},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.986755371094},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.477233886719},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.987182617188},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.987670898438},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.98779296875},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.476135253906},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.477355957031},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.476623535156},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.476135253906},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.986999511719},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.476989746094},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.47607421875},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.98779296875},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.4775390625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.988159179688},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.477844238281},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.477783203125},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.988830566406},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 650.316650390625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.982360839844},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.480529785156},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.480407714844},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.479797363281},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.988403320313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1226.552856445313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 939.04052734375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 731.926086425781},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 872.500305175781},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 564.9736328125},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 897.707397460938},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 877.670166015625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 743.148376464844},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 968.134704589844},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1307.041748046875},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1253.661865234375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 915.693176269531},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1177.238647460938},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 869.441650390625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1186.244262695313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 768.665893554688},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 616.336730957031},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1160.57470703125},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1034.509887695313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1146.572387695313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 1205.115234375},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.990051269531},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.480529785156},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.478515625},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.987854003906},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.479187011719},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.479187011719},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.478637695313},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 649.988098144531},
 {'sequence': 'NLQEEISDLTEQLGSSGK', 'pepmass': 974.4765625},
 {'sequence': 'AELGALPDDFIDSLEK', 'pepmass': 866.942626953125},
 {'sequence': 'AELGALPDDFIDSLEK', 'pepmass': 866.939880371094},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.454040527344},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 991.458923339844},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.126037597656},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 744.345092773438},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.127502441406},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.127197265625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1487.684936523438},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 744.346557617188},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.124694824219},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.12548828125},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1487.683837890625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.125305175781},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.121948242188},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1243.604858398438},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1034.873291015625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 982.187316894531},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1111.852172851563},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1249.07763671875},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1274.010375976563},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1286.15234375},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1193.1259765625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1124.595947265625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 797.88623046875},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1087.19189453125},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 826.154907226563},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 888.152648925781},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 995.038146972656},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1016.1298828125},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 619.158996582031},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1035.280639648438},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 806.028381347656},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1074.158447265625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 694.372741699219},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1318.666259765625},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 744.700500488281},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1423.426391601563},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 884.460815429688},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 592.325622558594},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.120910644531},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 991.779907226563},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 991.446716308594},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.117553710938},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 1487.672607421875},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.119506835938},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.119812011719},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.119995117188},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.119689941406},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.451904296875},
 {'sequence': 'SHCIAEVENDEMPADLPSLAADFVESK', 'pepmass': 992.12060546875},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.733459472656},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.585693359375},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.733215332031},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.088500976563},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.728637695313},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.084594726563},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.728759765625},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1038.901977539063},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.091674804688},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.090454101563},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.091430664063},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.730407714844},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.088134765625},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.729431152344},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 831.733215332031},
 {'sequence': 'DFSALESQLQDTQELLQEENR', 'pepmass': 1247.583374023438},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.437683105469},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.436401367188},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 543.958251953125},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.438781738281},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.438659667969},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.434631347656},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.432922363281},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.432678222656},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431640625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431640625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.434387207031},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431945800781},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431884765625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.43212890625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 543.957702636719},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 819.114501953125},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 1171.222412109375},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.773132324219},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 1172.264770507813},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 1477.808471679688},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.432495117188},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431884765625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.431396484375},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 543.957275390625},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.43359375},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.432861328125},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.434814453125},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.434814453125},
 {'sequence': 'SLADELALVDVLEDK', 'pepmass': 815.434265136719},
 {'sequence': 'SLQADTTNTDTALTTLEEALAEK', 'pepmass': 812.742797851563},
 {'sequence': 'SLQADTTNTDTALTTLEEALAEK', 'pepmass': 812.738220214844},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 984.985290527344},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 985.007995605469},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 985.010375976563},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 657.008911132813},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 657.33837890625},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 657.009704589844},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 657.010375976563},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 985.504638671875},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 985.9931640625},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 985.002807617188},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 657.006225585938},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 785.903747558594},
 {'sequence': 'LEGDHQLIQEALVFDNK', 'pepmass': 611.709045410156},
 {'sequence': 'GQVEQANQELQELIQSVK', 'pepmass': 1021.526062011719},
 {'sequence': 'GQVEQANQELQELIQSVK', 'pepmass': 1021.528137207031},
 {'sequence': 'GQVEQANQELQELIQSVK', 'pepmass': 681.026550292969},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.9921875},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.977844238281},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.485290527344},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.485229492188},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.993469238281},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.993286132813},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.993041992188},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 957.472351074219},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.98876953125},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.478759765625},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.4794921875},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.989624023438},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.988891601563},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.989501953125},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.990539550781},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 637.989685058594},
 {'sequence': 'DLNELQALIEAHFENR', 'pepmass': 956.481201171875},
 ...]
In [16]:
type(pepmasses[0]['pepmass'])
Out[16]:
float
In [ ]:
In [17]:
import numpy as np
import pandas as pd
import plotly.graph_objects as go
import math
In [18]:
pepmasses_df = pd.DataFrame(pepmasses)
In [19]:
pepmasses_df
Out[19]:
sequence pepmass
0 HGGYKPTDK 501.755615
1 ICELYAK 448.731018
2 HGEVCPAGWKPGSDTIKPDVQK 602.303101
3 HGEVCPAGWKPGSDTIKPDVQK 541.911682
4 HGEVCPAGWKPGSDTIKPDVQK 802.734314
... ... ...
49309 VYHYFQWR 599.793579
49310 LTLLHYDPVVK 649.379517
49311 LWAFCC 856.350525
49312 STMQELNSR 533.253296
49313 LALDVEIATYR 632.351135

49314 rows × 2 columns

In [ ]:
In [ ]:
In [20]:
print(pepmasses_df['pepmass'].describe(percentiles=list(np.round(np.arange(0.0, 1.0, 0.05), 2))))

count    49314.000000
mean       784.360339
std        227.046307
min        300.156830
0%         300.156830
5%         466.676712
10%        512.609857
15%        550.977536
20%        582.319312
25%        611.968994
30%        639.007092
35%        666.712457
40%        697.359277
45%        729.396722
50%        757.396667
55%        786.057959
60%        818.948706
65%        848.613190
70%        882.405518
75%        922.101105
80%        976.974744
85%       1028.852527
90%       1101.554077
95%       1205.109985
max       1739.787109
Name: pepmass, dtype: float64
In [21]:
pepmass_histogram, pepmass_bin_edges = np.histogram(pepmasses_df['pepmass'])

fig = go.Figure()

fig.add_trace(go.Bar(y=pepmass_histogram,
                     x=pepmass_bin_edges[1:],
                     marker_color='red'))

fig.show()
In [42]:
EPOCH_DATA_FILENAME="/media/eduseiti/data_storage_1TB/unicamp/clustering_linfeng_sample_pvalues/pepmass/last_epoch_data.pkl"
EPOCH_DATA_RANKS_FILENAME="/media/eduseiti/data_storage_1TB/unicamp/clustering_linfeng_sample_pvalues/pepmass/last_epoch_ranks_data.pkl"
EPOCH_DATA_EMBEDDINGS_FILENAME="/media/eduseiti/data_storage_1TB/unicamp/clustering_linfeng_sample_pvalues/pepmass/last_epoch_embeddings_data.pkl"
In [43]:
with open(EPOCH_DATA_FILENAME, "rb") as inputFile:
    epoch_data = pickle.load(inputFile)
In [44]:
with open(EPOCH_DATA_RANKS_FILENAME, "rb") as inputFile:
    epoch_ranks_data = pickle.load(inputFile)
In [45]:
with open(EPOCH_DATA_EMBEDDINGS_FILENAME, "rb") as inputFile:
    epoch_embeddings_data = pickle.load(inputFile)
In [46]:
samples = []

rank_index = 0

embeddings_starting_index = 0

for epoch in epoch_data[-43:]:
    
    print("Len(epoch['sequence'])={}".format(len(epoch['sequence'])))
    
    for i in range(len(epoch['sequence']) // 2):
        sample = {}
        sample['sequence'] = epoch['sequence'][i * 2]
        sample['anchor'] = epoch['index'][i * 2]
        sample['positive'] = epoch['index'][i * 2 + 1]
        sample['rank'] = epoch_ranks_data[rank_index]
        sample['anchor_embeddings'] = epoch_embeddings_data[embeddings_starting_index + i * 2]
        sample['postive_embeddings'] = epoch_embeddings_data[embeddings_starting_index + i * 2 + 1]
        
        samples.append(sample)
        
        rank_index += 1
    
    embeddings_starting_index += len(epoch['sequence'])
    

Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=350
Len(epoch['sequence'])=298
In [47]:
samples
Out[47]:
[{'sequence': 'SSPQFGVTLLTYELLQR',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 1,
  'anchor_embeddings': tensor([0.0828, 0.0000, 0.0997, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.9303,
          0.5538, 0.0000, 0.0000, 0.0905, 0.0000, 0.0000, 1.1124, 0.0000, 0.1668,
          0.2642, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.1888, 0.0000, 2.0050,
          0.0000, 0.0000, 0.0000, 1.1267], device='cuda:0'),
  'postive_embeddings': tensor([0.0437, 0.0000, 0.2322, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.7405,
          1.3811, 0.0000, 0.0000, 0.3773, 0.0000, 0.0000, 0.5750, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.3004, 0.0000, 2.1794,
          0.0000, 0.0000, 0.0000, 0.7750], device='cuda:0')},
 {'sequence': 'AEQTILPLVDEALQHTTTK',
  'anchor': tensor(1, device='cuda:0'),
  'positive': tensor(3, device='cuda:0'),
  'rank': 50,
  'anchor_embeddings': tensor([0.0066, 0.0000, 0.0000, 0.0000, 0.3883, 0.0000, 0.0000, 0.2276, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0822, 0.0000, 0.0000, 0.7086, 1.3006, 1.0535,
          0.0000, 0.0000, 0.0000, 0.3435, 0.0000, 0.0000, 0.0000, 0.7668, 0.0000,
          0.0000, 0.1987, 0.4887, 1.0169], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.6954, 0.0000, 0.0000, 0.2002, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.4315, 0.3810, 0.7979,
          0.0000, 0.0000, 0.0000, 0.4179, 0.0000, 0.0000, 0.0000, 0.3429, 0.0000,
          0.0000, 0.8471, 0.0000, 0.9998], device='cuda:0')},
 {'sequence': 'DTVATQLSEAVDATR',
  'anchor': tensor(1, device='cuda:0'),
  'positive': tensor(0, device='cuda:0'),
  'rank': 0,
  'anchor_embeddings': tensor([1.2713, 1.5699, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.3947, 0.0000, 0.0000,
          0.0272, 0.0000, 0.0000, 0.0000, 0.0000, 1.1824, 0.0000, 0.0000, 0.0000,
          0.0000, 1.1898, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.8109, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([1.0744, 1.5967, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.3399, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.0378, 0.0000, 0.0000, 0.0000,
          0.0000, 0.8416, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.7291, 0.0000,
          0.0277, 0.0000, 0.0000, 0.0000], device='cuda:0')},
 {'sequence': 'VSQMAQYFEPLTLAAVGAASK',
  'anchor': tensor(1, device='cuda:0'),
  'positive': tensor(0, device='cuda:0'),
  'rank': 4795,
  'anchor_embeddings': tensor([1.4179, 0.0000, 0.0000, 0.0000, 0.3377, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.3039, 0.0000, 0.0000, 0.2239, 0.0000, 0.6844,
          0.0000, 0.0000, 0.0000, 0.6109, 0.0000, 0.0000, 0.0000, 0.3642, 0.0000,
          0.0000, 0.0000, 0.5722, 0.6902], device='cuda:0'),
  'postive_embeddings': tensor([0.3186, 0.0000, 0.0587, 0.0000, 0.0000, 0.0000, 0.0000, 0.3490, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.7748,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.9730, 0.6124, 0.3705,
          0.0000, 1.4688, 0.0000, 0.0000, 0.0000, 0.0000, 1.3325, 0.4794, 0.0000,
          0.0000, 0.0000, 0.1986, 1.2799], device='cuda:0')},
 {'sequence': 'SVNGQIESLISPDGSR',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 0,
  'anchor_embeddings': tensor([1.4612, 0.3772, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 1.4109, 0.0000, 0.0000, 0.0000, 0.0000,
          0.7414, 0.0000, 0.0000, 0.2290, 0.0000, 1.0655, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.2981, 0.0000, 0.0000, 1.2372, 0.0000, 0.3374,
          0.0000, 0.1824, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([1.2650, 0.5603, 0.0000, 0.0000, 0.0525, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.9107, 0.0000, 0.0000, 0.0000, 0.0000,
          0.3727, 0.0000, 0.0000, 0.3797, 0.0000, 1.1861, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.8771, 0.0000, 0.4533,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0')},
 {'sequence': 'KPGGFDISLFYR',
  'anchor': tensor(2, device='cuda:0'),
  'positive': tensor(0, device='cuda:0'),
  'rank': 25,
  'anchor_embeddings': tensor([0.0000, 0.3489, 0.0000, 0.0000, 0.2555, 0.0000, 0.0000, 0.0000, 0.6700,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.1482, 0.0000, 1.9782,
          0.0000, 0.0000, 0.0000, 0.0355, 0.0778, 1.8110, 0.0000, 0.6182, 0.0000,
          0.0000, 0.0785, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.4736,
          2.8455, 0.0000, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.1143, 0.0000, 0.0000, 0.6561, 0.0000,
          0.0000, 0.0000, 0.6380, 0.0000, 0.0000, 0.0000, 0.3552, 0.0000, 0.7502,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.5944, 0.0000, 0.0050, 0.0000,
          0.6517, 0.3996, 0.0000, 0.0000, 0.0000, 0.0000, 0.0566, 0.0000, 0.4676,
          2.3428, 0.0000, 0.0000, 0.1105], device='cuda:0')},
 {'sequence': 'APSPLYSVEFSEEPFGVIVR',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 3,
  'anchor_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.1304, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.5528, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.1489, 0.0000,
          0.1702, 0.0000, 0.0000, 0.0358, 0.0000, 0.0000, 0.0000, 0.0410, 1.4503,
          0.0000, 1.2172, 0.4550, 1.3515], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.8159, 0.0000, 0.1134, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0462, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0607, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.4790,
          0.0000, 0.9222, 0.2820, 1.3392], device='cuda:0')},
 {'sequence': 'DIEHALSVSVFNNK',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 668,
  'anchor_embeddings': tensor([0.0000, 0.0000, 1.8164, 0.0000, 0.0958, 0.0000, 0.0000, 0.0000, 0.4067,
          0.6123, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.5817,
          1.0981, 0.0000, 0.0000, 0.0000, 0.0000, 0.4056, 0.0000, 0.7502, 0.8802,
          0.0000, 0.0000, 0.0000, 0.1890, 0.0000, 1.2874, 0.2235, 0.0000, 0.0449,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.6350, 0.0000, 0.0000, 0.0000, 1.5615,
          1.0786, 0.0000, 0.0000, 0.0000, 0.0000, 1.2619, 0.0000, 1.1340, 0.0000,
          0.4340, 0.5161, 0.0000, 0.0000, 0.0000, 0.0000, 0.9757, 0.7913, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0')},
 {'sequence': 'SGLTGLVIGGLYPVFLAIPVNGGLAAR',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 48,
  'anchor_embeddings': tensor([0.0000, 0.0653, 0.0000, 0.0000, 0.8807, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.8958, 0.0000, 0.0000, 0.0000, 0.2930,
          0.0000, 0.0000, 0.0000, 0.3144, 0.0000, 0.0000, 0.0000, 0.9681, 0.0000,
          0.0000, 0.3582, 0.0000, 0.0840, 0.0000, 0.0000, 0.0000, 1.7688, 0.0000,
          0.0000, 0.0000, 0.7611, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.1685, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 2.4306, 0.0000,
          0.0000, 0.0000, 0.8738, 0.2672], device='cuda:0')},
 {'sequence': 'VFIMDNCEELIPEYLNFIR',
  'anchor': tensor(1, device='cuda:0'),
  'positive': tensor(0, device='cuda:0'),
  'rank': 5216,
  'anchor_embeddings': tensor([0.0000, 0.0000, 0.2541, 0.0000, 0.0000, 0.0000, 0.0000, 0.5842, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.7490,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.6485,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.2925, 1.7046,
          0.0000, 0.4596, 0.7401, 0.9551], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 1.6322, 0.0000, 0.3938, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.5871, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.4520, 0.9326, 0.0000, 0.0000, 0.6541, 0.0542, 0.4124,
          0.5101, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 1.3207], device='cuda:0')},
 {'sequence': 'NGFLNLALPFFGFSEPLAAPR',
  'anchor': tensor(4, device='cuda:0'),
  'positive': tensor(3, device='cuda:0'),
  'rank': 0,
  'anchor_embeddings': tensor([0.2521, 0.0000, 0.7050, 0.0000, 0.0000, 0.0000, 0.0000, 0.4635, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.3974,
          0.0000, 0.0000, 0.0345, 0.7209, 0.0000, 0.0000, 0.5866, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.3201, 0.0000,
          0.0000, 0.1225, 0.0000, 0.8652], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.6556, 0.0000, 0.0000, 0.0000, 0.0000, 0.6175, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.5386,
          0.0000, 0.0000, 0.0000, 1.2656, 0.0000, 0.0000, 0.6902, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.4097, 0.0000,
          0.0000, 0.0000, 0.0000, 1.0647], device='cuda:0')},
 {'sequence': 'VLAQQGEYSEAIPILR',
  'anchor': tensor(2, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 0,
  'anchor_embeddings': tensor([0.0878, 0.0000, 0.0000, 0.0000, 1.0866, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          1.1996, 0.0000, 0.0000, 0.2126, 0.0331, 0.0000, 0.0000, 0.2619, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 1.2853, 0.0000, 0.4094], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 1.1807, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          1.4417, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0859, 0.0304, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 1.3371, 0.0000, 0.3568], device='cuda:0')},
 {'sequence': 'LFVLFGAEILK',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(2, device='cuda:0'),
  'rank': 3,
  'anchor_embeddings': tensor([0.0000, 0.0000, 0.0000, 0.0000, 0.1420, 0.0000, 0.0000, 1.1850, 0.0000,
          0.0000, 0.0000, 2.5819, 0.0000, 0.0000, 0.0000, 0.0851, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          2.2389, 0.0000, 0.0000, 0.4911, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.0338, 0.0000, 0.8137, 0.0000, 0.0000, 1.1239, 0.1584,
          0.6983, 0.0000, 2.0050, 0.0000, 0.0000, 0.0000, 0.0552, 0.0000, 0.3689,
          0.0000, 0.0000, 0.0000, 0.0000, 0.4387, 0.0000, 0.0000, 0.0000, 0.0000,
          1.7259, 0.0000, 0.0000, 0.8985, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.4787, 0.0000, 0.0000, 0.0000], device='cuda:0')},
 {'sequence': 'YLQDLLAWVEENQHR',
  'anchor': tensor(3, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 22,
  'anchor_embeddings': tensor([0.0000, 0.0000, 0.8885, 0.0000, 0.7912, 0.0000, 0.0000, 0.0000, 0.1600,
          0.0000, 0.0000, 0.0000, 0.0000, 0.8336, 0.0000, 0.0000, 0.0000, 0.0000,
          0.6232, 0.0000, 0.0000, 0.0000, 0.0000, 1.0133, 0.0000, 0.3553, 0.0000,
          0.4272, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.0729,
          0.0000, 0.0000, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000, 0.0000, 0.9910, 0.0000, 0.9429, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.9758, 0.0000, 0.0000, 0.0000, 0.4263,
          0.5008, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.4230,
          0.7572, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000, 1.4540,
          0.0000, 0.0000, 0.6804, 1.0036], device='cuda:0')},
 {'sequence': 'ALGTEVIQLFPEK',
  'anchor': tensor(0, device='cuda:0'),
  'positive': tensor(1, device='cuda:0'),
  'rank': 183,
  'anchor_embeddings': tensor([0.0000, 0.2596, 0.8602, 0.0000, 0.0000, 0.0000, 0.0000, 0.4908, 1.8054,
          0.0000, 0.0000, 0.0000, 0.0000, 1.8486, 0.0000, 0.6611, 0.0000, 0.0000,
          0.0000, 0.0000, 0.0000, 0.0000, 0.1051, 0.4118, 0.0000, 0.0000, 0.0358,
          0.0000, 0.0642, 0.0000, 1.7704, 0.0000, 0.0000, 0.0000, 0.0000, 0.0000,
          0.0000, 0.1059, 0.0000, 0.0000], device='cuda:0'),
  'postive_embeddings': tensor([0.0000e+00, 2.1662e-01, 7.8944e-01, 0.0000e+00, 0.0000e+00, 0.0000e+00,
          0.0000e+00, 8.5591e-04, 1.0699e+00, 0.0000e+00, 0.0000e+00, 3.3428e-01,
          0.0000e+00, 0.0000e+00, 0.0000e+00, 8.7670e-01, 0.0000e+00, 1.2867e+00,
          0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 1.0806e-01, 2.5354e-01,
          0.0000e+00, 2.1701e-02, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00,
          1.2581e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00,
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 ...]
In [48]:
testNew['spectra']['VDISAPDVDVHGPDWHLK']
Out[48]:
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          [ 1.2246e+00,  2.4532e-02],
          [ 1.2260e+00,  7.1488e-02],
          [ 1.2499e+00,  1.1789e-02],
          [ 1.2526e+00, -6.8328e-03],
          [ 1.2717e+00,  3.0557e-02],
          [ 1.2743e+00,  2.3425e-02],
          [ 1.2769e+00,  1.2238e-02],
          [ 1.3200e+00,  2.9645e+00],
          [ 1.3227e+00,  1.3178e-02],
          [ 1.4724e+00, -5.5284e-03],
          [ 1.4818e+00, -7.2864e-03],
          [ 1.5686e+00, -6.1286e-03],
          [ 1.7576e+00,  4.6880e-02],
          [ 1.7685e+00,  2.1534e-02],
          [ 1.9402e+00, -5.2078e-03]]),
  'pepmass': [10.861760065097096],
  'charge': '2+',
  'scan': 5728},
 {'nzero_peaks': tensor([[-1.1167e+00, -3.9184e-02],
          [-1.1094e+00, -3.9498e-02],
          [-1.1080e+00, -3.9468e-02],
          [-1.0997e+00, -3.9290e-02],
          [-1.0972e+00, -3.9450e-02],
          [-1.0948e+00, -3.9343e-02],
          [-1.0933e+00, -3.9406e-02],
          [-1.0876e+00, -3.9327e-02],
          [-1.0819e+00, -3.9432e-02],
          [-1.0765e+00, -3.8826e-02],
          [-1.0733e+00, -3.9645e-02],
          [-1.0696e+00, -3.9420e-02],
          [-1.0645e+00, -3.5896e-02],
          [-1.0561e+00, -3.9196e-02],
          [-1.0537e+00, -3.6232e-02],
          [-1.0385e+00, -3.9169e-02],
          [-1.0216e+00, -3.5282e-02],
          [-1.0045e+00, -3.9045e-02],
          [-1.0034e+00, -3.9112e-02],
          [-1.0022e+00, -3.9106e-02],
          [-9.9474e-01, -3.5949e-02],
          [-9.7858e-01, -3.2955e-02],
          [-9.7267e-01, -3.9167e-02],
          [-9.5713e-01, -3.5255e-02],
          [-9.4640e-01, -3.5274e-02],
          [-9.4631e-01, -3.5128e-02],
          [-9.0879e-01, -2.1545e-02],
          [-9.0185e-01, -3.8398e-02],
          [-8.9197e-01, -3.8901e-02],
          [-8.7668e-01, -2.5115e-02],
          [-8.7127e-01, -1.3287e-02],
          [-8.4305e-01, -3.9241e-02],
          [-8.3365e-01, -3.3207e-02],
          [-8.0409e-01, -3.6402e-02],
          [-8.0145e-01, -3.3351e-02],
          [-7.9604e-01, -3.5825e-02],
          [-7.9594e-01, -3.9116e-02],
          [-7.9540e-01, -3.8483e-02],
          [-7.7452e-01, -3.3870e-02],
          [-7.6647e-01, -3.1169e-02],
          [-7.6184e-01, -3.9448e-02],
          [-7.6077e-01, -3.8614e-02],
          [-7.5025e-01, -2.8316e-02],
          [-7.4551e-01, -3.8600e-02],
          [-7.3487e-01, -3.9104e-02],
          [-6.9631e-01, -3.9032e-02],
          [-6.9231e-01, -3.9147e-02],
          [-6.8603e-01, -3.8872e-02],
          [-6.8593e-01, -3.6372e-02],
          [-6.8062e-01, -3.8690e-02],
          [-6.6373e-01, -3.8724e-02],
          [-6.4841e-01, -2.3041e-02],
          [-6.1759e-01, -3.9346e-02],
          [-6.1080e-01, -2.7824e-02],
          [-6.0745e-01, -3.9201e-02],
          [-6.0539e-01, -3.8455e-02],
          [-6.0007e-01, -3.0820e-02],
          [-5.7862e-01, -3.0842e-02],
          [-5.6777e-01, -2.8792e-02],
          [-5.6595e-01, -3.9241e-02],
          [-5.5135e-01, -3.9004e-02],
          [-5.4159e-01, -3.9051e-02],
          [-5.1946e-01, -3.8999e-02],
          [-5.0343e-01, -3.8563e-02],
          [-4.9795e-01, -3.8256e-02],
          [-4.9538e-01, -9.8292e-03],
          [-4.9269e-01, -3.8248e-02],
          [-4.6782e-01, -3.9166e-02],
          [-4.5776e-01, -2.7833e-02],
          [-4.5506e-01, -3.8305e-02],
          [-4.5244e-01, -3.6805e-02],
          [-4.4704e-01, -2.1507e-02],
          [-4.0942e-01, -3.5820e-02],
          [-4.0932e-01, -3.8125e-02],
          [-3.8263e-01, -3.8319e-02],
          [-3.8253e-01, -1.5096e-02],
          [-3.8240e-01, -2.2852e-02],
          [-3.7983e-01, -3.6883e-02],
          [-3.6961e-01, -3.9046e-02],
          [-3.6054e-01, -3.8540e-02],
          [-3.5580e-01, -3.2244e-02],
          [-3.3419e-01, -2.8675e-02],
          [-3.1271e-01, -3.6118e-02],
          [-3.0208e-01, -3.2420e-03],
          [-3.0189e-01, -3.8086e-02],
          [-2.9939e-01, -3.6124e-02],
          [-2.7418e-01, -3.9200e-02],
          [-2.6701e-01, -3.8635e-02],
          [-2.6437e-01, -3.7081e-02],
          [-2.5084e-01, -3.1139e-02],
          [-1.9187e-01, -3.5101e-02],
          [-1.6813e-01, -3.7317e-02],
          [-1.4354e-01, -3.9026e-02],
          [-1.1133e-01, -3.3406e-02],
          [-9.7524e-02, -3.8971e-02],
          [-3.6194e-02, -2.5824e-02],
          [-2.2350e-02, -3.8876e-02],
          [-9.4249e-03, -3.8168e-02],
          [ 4.4449e-02, -3.7864e-02],
          [ 6.8473e-02, -3.4960e-02],
          [ 7.9120e-02, -3.8932e-02],
          [ 1.1701e-01, -1.4008e-02],
          [ 1.1971e-01, -3.5449e-02],
          [ 1.2214e-01, -3.8089e-02],
          [ 1.4361e-01, -3.3715e-02],
          [ 1.5210e-01, -3.9002e-02],
          [ 2.3898e-01, -3.5802e-02],
          [ 2.5651e-01, -3.1773e-02],
          [ 2.9408e-01, -3.6508e-02],
          [ 2.9911e-01, -3.8801e-02],
          [ 3.3165e-01, -2.6655e-02],
          [ 3.9878e-01, -3.7095e-02],
          [ 4.4712e-01, -2.9770e-02],
          [ 4.8468e-01, -2.9653e-02],
          [ 4.8737e-01, -3.7304e-02],
          [ 4.9387e-01, -3.8540e-02],
          [ 5.1145e-01, -3.6857e-02],
          [ 5.8545e-01, -2.8073e-02],
          [ 6.6809e-01, -3.8392e-02],
          [ 6.8619e-01, -2.4758e-02],
          [ 6.8887e-01, -3.7062e-02],
          [ 6.9169e-01, -3.8459e-02],
          [ 7.3983e-01, -3.8100e-02],
          [ 8.3924e-01,  1.6551e-02],
          [ 8.4193e-01, -2.7541e-02],
          [ 8.5202e-01, -3.8374e-02],
          [ 8.6328e-01, -3.6685e-02],
          [ 9.8424e-01, -3.6700e-02],
          [ 9.8443e-01, -3.8782e-02],
          [ 1.0539e+00, -2.4477e-02],
          [ 1.0566e+00, -3.4353e-02],
          [ 1.1588e+00, -3.6440e-02],
          [ 1.1873e+00, -3.9053e-02],
          [ 1.1911e+00, -1.5066e-02],
          [ 1.1938e+00, -3.8152e-02],
          [ 1.2071e+00, -7.4042e-03],
          [ 1.2098e+00, -3.0734e-02],
          [ 1.2395e+00,  2.8926e-01],
          [ 1.2445e+00, -3.8093e-02],
          [ 1.4121e+00, -3.8441e-02],
          [ 1.4730e+00, -1.8848e-02],
          [ 1.4756e+00, -3.0430e-02],
          [ 1.5383e+00, -3.7316e-02],
          [ 1.5533e+00, -3.2084e-02],
          [ 1.7817e+00, -2.9513e-02],
          [ 1.7844e+00, -3.5332e-02],
          [ 1.8030e+00, -3.7134e-02],
          [ 1.9211e+00, -2.9711e-02],
          [ 1.9238e+00, -3.5524e-02],
          [ 2.0476e+00, -3.0705e-02],
          [ 2.0502e+00, -3.4255e-02],
          [ 2.2246e+00, -3.2629e-02],
          [ 2.2273e+00, -3.4573e-02],
          [ 2.2418e+00, -3.8377e-02],
          [ 2.2729e+00, -3.5910e-02],
          [ 2.3563e+00, -2.6885e-02],
          [ 2.3589e+00, -3.6456e-02],
          [ 2.4153e+00, -3.8139e-02],
          [ 2.5684e+00, -3.5286e-02],
          [ 2.5711e+00, -3.7024e-02],
          [ 2.6168e+00,  1.9272e-02],
          [ 2.6194e+00, -1.2424e-03],
          [ 2.6221e+00, -3.7272e-02],
          [ 2.6368e+00, -3.8281e-02],
          [ 2.8074e+00, -3.3292e-02],
          [ 2.8101e+00, -3.5397e-02],
          [ 2.8172e+00, -3.8257e-02],
          [ 3.0409e+00, -3.2783e-02],
          [ 3.0437e+00, -3.7268e-02],
          [ 3.1673e+00, -3.8355e-02],
          [ 3.3635e+00, -3.8200e-02],
          [ 3.5548e+00, -3.8377e-02],
          [ 3.6962e+00, -3.8138e-02]]),
  'pepmass': [16.800319721770588],
  'charge': '2+',
  'scan': 9506}]
In [ ]:
testNew['spectra']['TMLITHMQDLQEVTQDLHYENFR']
In [49]:
len(testNew['spectra'])
Out[49]:
19313
In [50]:
TRAIN_DATASET_NEW="/media/eduseiti/bigdata02/unicamp/doutorado/bootstrap.pytorch/data/mixedSpectraCrux/sequences/train_mixedSpectraCrux_v5.1.pkl"
In [53]:
with open(TRAIN_DATASET_NEW, "rb") as inputLog:
    trainNew = pickle.load(inputLog)
In [54]:
len(trainNew['spectra'])
Out[54]:
79164
In [61]:
trainNew['spectra']['SGPFGQIFRPDNFVFGQSGAGNNWAK'][0]['nzero_peaks'][:,1]
Out[61]:
tensor([-0.0399, -0.0401, -0.0401, -0.0374, -0.0401, -0.0398, -0.0397, -0.0401,
        -0.0388, -0.0401, -0.0400, -0.0401, -0.0379, -0.0399, -0.0402, -0.0398,
        -0.0402, -0.0400, -0.0397, -0.0399, -0.0402, -0.0388, -0.0388, -0.0400,
        -0.0400, -0.0394, -0.0398, -0.0398, -0.0389, -0.0396, -0.0387, -0.0401,
        -0.0396, -0.0400, -0.0400, -0.0398, -0.0343, -0.0392, -0.0389, -0.0401,
        -0.0399, -0.0400, -0.0397, -0.0396, -0.0393, -0.0390, -0.0389, -0.0317,
        -0.0339, -0.0380, -0.0396, -0.0398, -0.0387, -0.0318, -0.0391, -0.0389,
        -0.0400, -0.0310, -0.0397, -0.0383, -0.0335, -0.0376, -0.0395, -0.0128,
        -0.0388, -0.0395, -0.0387, -0.0396, -0.0374, -0.0387, -0.0389, -0.0393,
        -0.0318, -0.0351, -0.0377, -0.0397, -0.0370, -0.0398, -0.0396, -0.0395,
        -0.0396, -0.0387, -0.0384, -0.0375, -0.0368, -0.0341, -0.0399, -0.0265,
        -0.0328, -0.0396, -0.0378, -0.0391, -0.0375, -0.0399, -0.0386, -0.0399,
        -0.0400, -0.0398, -0.0398, -0.0393, -0.0392, -0.0397, -0.0392, -0.0396,
        -0.0393])
In [62]:
trainNew['spectra']['SGPFGQIFRPDNFVFGQSGAGNNWAK'][0]['nzero_peaks']
Out[62]:
tensor([[-1.1655, -0.0399],
        [-1.1650, -0.0401],
        [-1.1643, -0.0401],
        [-1.1263, -0.0374],
        [-1.1105, -0.0401],
        [-1.0943, -0.0398],
        [-1.0883, -0.0397],
        [-1.0807, -0.0401],
        [-1.0752, -0.0388],
        [-1.0346, -0.0401],
        [-1.0297, -0.0400],
        [-1.0190, -0.0401],
        [-1.0014, -0.0379],
        [-0.9942, -0.0399],
        [-0.9933, -0.0402],
        [-0.9086, -0.0398],
        [-0.8993, -0.0402],
        [-0.8814, -0.0400],
        [-0.8781, -0.0397],
        [-0.8750, -0.0399],
        [-0.8699, -0.0402],
        [-0.8658, -0.0388],
        [-0.8631, -0.0388],
        [-0.8344, -0.0400],
        [-0.7612, -0.0400],
        [-0.7117, -0.0394],
        [-0.6514, -0.0398],
        [-0.5920, -0.0398],
        [-0.5598, -0.0389],
        [-0.5156, -0.0396],
        [-0.4792, -0.0387],
        [-0.4422, -0.0401],
        [-0.3480, -0.0396],
        [-0.3147, -0.0400],
        [-0.3146, -0.0400],
        [-0.3088, -0.0398],
        [-0.2970, -0.0343],
        [-0.2510, -0.0392],
        [-0.0859, -0.0389],
        [-0.0359, -0.0401],
        [ 0.0862, -0.0399],
        [ 0.1457, -0.0400],
        [ 0.2506, -0.0397],
        [ 0.3209, -0.0396],
        [ 0.3961, -0.0393],
        [ 0.4015, -0.0390],
        [ 0.4794, -0.0389],
        [ 0.5170, -0.0317],
        [ 0.5183, -0.0339],
        [ 0.5196, -0.0380],
        [ 0.5555, -0.0396],
        [ 0.5873, -0.0398],
        [ 0.6499, -0.0387],
        [ 0.7452, -0.0318],
        [ 0.7478, -0.0391],
        [ 0.7560, -0.0389],
        [ 0.7811, -0.0400],
        [ 0.9788, -0.0310],
        [ 0.9814, -0.0397],
        [ 1.0554, -0.0383],
        [ 1.0568, -0.0335],
        [ 1.0580, -0.0376],
        [ 1.0591, -0.0395],
        [ 1.0594, -0.0128],
        [ 1.0662, -0.0388],
        [ 1.1195, -0.0395],
        [ 1.2098, -0.0387],
        [ 1.3535, -0.0396],
        [ 1.3869, -0.0374],
        [ 1.3883, -0.0387],
        [ 1.3896, -0.0389],
        [ 1.4299, -0.0393],
        [ 1.4755, -0.0318],
        [ 1.4781, -0.0351],
        [ 1.4809, -0.0377],
        [ 1.5122, -0.0397],
        [ 1.5400, -0.0370],
        [ 1.5552, -0.0398],
        [ 1.6831, -0.0396],
        [ 1.7058, -0.0395],
        [ 1.7105, -0.0396],
        [ 1.7118, -0.0387],
        [ 1.7132, -0.0384],
        [ 1.7870, -0.0375],
        [ 1.7884, -0.0368],
        [ 1.7897, -0.0341],
        [ 1.8356, -0.0399],
        [ 1.8702, -0.0265],
        [ 1.8729, -0.0328],
        [ 1.8997, -0.0396],
        [ 1.9871, -0.0378],
        [ 1.9885, -0.0391],
        [ 2.0180, -0.0375],
        [ 2.0824, -0.0399],
        [ 2.0986, -0.0386],
        [ 2.1161, -0.0399],
        [ 2.3933, -0.0400],
        [ 2.4035, -0.0398],
        [ 2.5838, -0.0398],
        [ 2.6001, -0.0393],
        [ 2.7457, -0.0392],
        [ 3.2019, -0.0397],
        [ 3.6121, -0.0392],
        [ 3.8273, -0.0396],
        [ 3.8951, -0.0393]])
In [63]:
all_intensities = trainNew['spectra']['SGPFGQIFRPDNFVFGQSGAGNNWAK'][0]['nzero_peaks'][:,1]
In [64]:
all_intensities
Out[64]:
tensor([-0.0399, -0.0401, -0.0401, -0.0374, -0.0401, -0.0398, -0.0397, -0.0401,
        -0.0388, -0.0401, -0.0400, -0.0401, -0.0379, -0.0399, -0.0402, -0.0398,
        -0.0402, -0.0400, -0.0397, -0.0399, -0.0402, -0.0388, -0.0388, -0.0400,
        -0.0400, -0.0394, -0.0398, -0.0398, -0.0389, -0.0396, -0.0387, -0.0401,
        -0.0396, -0.0400, -0.0400, -0.0398, -0.0343, -0.0392, -0.0389, -0.0401,
        -0.0399, -0.0400, -0.0397, -0.0396, -0.0393, -0.0390, -0.0389, -0.0317,
        -0.0339, -0.0380, -0.0396, -0.0398, -0.0387, -0.0318, -0.0391, -0.0389,
        -0.0400, -0.0310, -0.0397, -0.0383, -0.0335, -0.0376, -0.0395, -0.0128,
        -0.0388, -0.0395, -0.0387, -0.0396, -0.0374, -0.0387, -0.0389, -0.0393,
        -0.0318, -0.0351, -0.0377, -0.0397, -0.0370, -0.0398, -0.0396, -0.0395,
        -0.0396, -0.0387, -0.0384, -0.0375, -0.0368, -0.0341, -0.0399, -0.0265,
        -0.0328, -0.0396, -0.0378, -0.0391, -0.0375, -0.0399, -0.0386, -0.0399,
        -0.0400, -0.0398, -0.0398, -0.0393, -0.0392, -0.0397, -0.0392, -0.0396,
        -0.0393])
In [71]:
len(torch.cat((all_intensities, trainNew['spectra']['SGPFGQIFRPDNFVFGQSGAGNNWAK'][1]['nzero_peaks'][:,1])))
Out[71]:
185
In [91]:
type(trainNew['spectra']['SGPFGQIFRPDNFVFGQSGAGNNWAK'][0]['nzero_peaks'][:,1])
Out[91]:
torch.Tensor
In [93]:
all_intensities = None
In [94]:
for sequence in trainNew['spectra']:
    for spectrum in trainNew['spectra'][sequence]:
        if type(all_intensities) == torch.Tensor:
            all_intensities = torch.cat((all_intensities, spectrum['nzero_peaks'][:, 1]))
        else:
            all_intensities = spectrum['nzero_peaks'][:, 1]
In [106]:
intensities_histogram, intensities_bin_edges = np.histogram(all_intensities.numpy(), bins=1000)

fig = go.Figure()

fig.add_trace(go.Bar(y=intensities_histogram,
                     x=intensities_bin_edges[1:],
                     marker_color='red'))

fig.show()
In [99]:
all_intensities.min()
Out[99]:
tensor(-0.0420)
In [100]:
all_intensities.max()
Out[100]:
tensor(1586.5316)
In [108]:
from scipy import stats
In [109]:
stats.describe(all_intensities)
Out[109]:
DescribeResult(nobs=92120441, minmax=(-0.04203557, 1586.5316), mean=4.7989442e-06, variance=1.0015991, skewness=291.749267578125, kurtosis=190797.36702955302)
In [113]:
result = np.percentile(all_intensities, np.round(np.arange(0.0, 100.0, 0.05), 2))
In [115]:
for i in range(2000):
    print("Percentile={}, intensity={}".format(i * 0.05, result[i]))

Percentile=0.0, intensity=-0.04203556850552559
Percentile=0.05, intensity=-0.041981592774391174
Percentile=0.1, intensity=-0.04194716572761536
Percentile=0.15000000000000002, intensity=-0.041925184428691864
Percentile=0.2, intensity=-0.04190756380558014
Percentile=0.25, intensity=-0.041891537606716156
Percentile=0.30000000000000004, intensity=-0.041876260191202164
Percentile=0.35000000000000003, intensity=-0.04186157509684563
Percentile=0.4, intensity=-0.041847798973321915
Percentile=0.45, intensity=-0.04183508828282356
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In [116]:
fig = go.Figure()

fig.add_trace(go.Bar(y=result,
                     x=np.round(np.arange(0.0, 100.0, 0.05), 2),
                     marker_color='red'))

fig.show()
In [ ]: